Hexopyranosyl hexopyranoside
Basic information
- CAS
1174299-27-4- Standard SMILES
OCC1OC(OC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O- InChIKey
HDTRYLNUVZCQOY-UHFFFAOYSA-N- Molecular formula
- C12H22O11
- Average molar mass
- 342.3 g/mol
- Monoisotopic mass
- 342.11621151
Overview
Trehalose is a metabolite found in or produced by Escherichia coli (strain K12, MG1655).
Names & identifiers
- Preferred name
- Hexopyranosyl hexopyranoside
- IUPAC
- 2-(hydroxymethyl)-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-3,4,5-triol
Names & synonyms
Hexopyranosyl hexopyranosideDTXSID40859175RefChem:461070GlyTouCan:G08954VVDTXCID00197242CHEBI:131401G08954VV1174299-27-42-(hydroxymethyl)-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxane-3,4,5-triolNSC2093.alpha.-D-Glucopyranoside, .alpha.-D-glucopyranosyl2-(hydroxymethyl)-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-3,4,5-triol
Show more names
2-(hydroxymethyl)-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}tetrahydro-2H-pyran-3,4,5-triola,b-Trehalose.alpha.-Trehalose.alpha.-D-TrehaloseTrehalose, alpha,alpha'-.alpha.,.alpha.-Trehalose2-(Hydroxymethyl)-6-([3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2h-pyran-2-yl]oxy)tetrahydro-2h-pyran-3,4,5-triolD-Trehaloseanhydrous
Database identifiers
- CAS
1174299-27-4、99-20-7- PubChem CID
- 1143
- DTXSID
DTXSID40859175- EC Number
- 963-334-4
Properties
Computed structural properties
- XLogP
- -4.2
- Topological polar surface area
- 190 Ų
- Hydrogen bond donors
- 8
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 348
Experimental & physicochemical properties
Collision Cross Section179.27 Ų [M-H]- [CCS Type: DT; Method: stepped-field]
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Suppliers
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Related reactions
1 records
Compound notes
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